General Information of the Compound
Compound ID
CP0063796
Compound Name
Anilinoquinazoline deriv. 4
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Synonyms
2820AH
690206-97-4
AB0165814
AC1NS5UJ
AK174923
AKOS025404926
AOB6790
Anilinoquinazoline deriv. 4
BCP06445
BDBM4621
CB 676475
CB-676475
CB676475
CHEBI:92732
CHEMBL150315
CS-1349
CTK8E8823
DA-41680
DTXSID90416176
FT-0706412
GTPL8245
HMS3651N06
HSCI1_000042
HY-13785
KB-299318
KS-00000T57
MolPort-035-395-727
N-(4-chloro-2-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
NCGC00167747-01
RT-016341
S-7773
SB16593
SC-95590
SCHEMBL3012896
SW219943-1
ZINC2583789
ZM 306416
ZM-306416
ZM-306416(CB 676475)
ZM306416
s2897
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Structure
Formula
C16H13ClFN3O2
Molecular Weight
333.75
Canonical SMILES
COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
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InChI
InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
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InChIKey
YHUIUSRCUKUUQA-UHFFFAOYSA-N
Physicochemical Property
logP
4.1831
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
56.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 5329006
SID: 15646968
ChEMBL ID
CHEMBL150315
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000073 A-498
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 14100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 17700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2000 nM
2 IC50 = 17700 nM
Clinical Information about the Compound
Drug 1 ( CB-676475 )
Drug Name CB-676475
Target(s)
Vascular endothelial growth factor receptor 2 (KDR)
 Target Info 
Inhibitor
Vascular endothelial growth factor receptor 3 (FLT-4)
 Target Info 
Inhibitor
VEGFR1 messenger RNA (VEGFR1 mRNA)
 Target Info 
Inhibitor